General Information of the Compound
| Compound ID |
CP0497712
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| Compound Name |
N,N-dimethyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]ethanamine
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| Structure |
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| Formula |
C12H15N3S2
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| Molecular Weight |
265.407
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| Canonical SMILES |
CN(C)CCSc1nc(cs1)-c1ccncc1
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| InChI |
InChI=1S/C12H15N3S2/c1-15(2)7-8-16-12-14-11(9-17-12)10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3
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| InChIKey |
VQVFEOWWKRLYCL-UHFFFAOYSA-N
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| CAS |
90632-68-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor